N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide

C23H22FN5O2 — CID 76534203

IUPACN-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCn1cc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C23H22FN5O2/c1-3-29-13-20(15(2)28-29)31-14-23(17-5-4-6-18(24)9-17)10-19(23)22(30)27-21-8-7-16(11-25)12-26-21/h4-9,12-13,19H,3,10,14H2,1-2H3,(H,26,27,30)
InChIKeyNJNTZYJFHGOAPX-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.59
Rot. Bonds7

About N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide

N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 76534203) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID76534203
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC NameN-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCCn1cc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1
InChIInChI=1S/C23H22FN5O2/c1-3-29-13-20(15(2)28-29)31-14-23(17-5-4-6-18(24)9-17)10-19(23)22(30)27-21-8-7-16(11-25)12-26-21/h4-9,12-13,19H,3,10,14H2,1-2H3,(H,26,27,30)
InChIKeyNJNTZYJFHGOAPX-UHFFFAOYSA-N
XLogP3.59
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 76534203) is N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is CCn1cc(OCC2(c3cccc(F)c3)CC2C(=O)Nc2ccc(C#N)cn2)c(C)n1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is NJNTZYJFHGOAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-3-29-13-20(15(2)28-29)31-14-23(17-5-4-6-18(24)9-17)10-19(23)22(30)27-21-8-7-16(11-25)12-26-21/h4-9,12-13,19H,3,10,14H2,1-2H3,(H,26,27,30).
What are the key properties of N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2-[(1-ethyl-3-methylpyrazol-4-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76534203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).